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20 resultsShowing papers similar to Review of Recent Computational Research on the Adsorption of PFASs with a Variety of Substrates
ClearMolecular-Scale Insights into the Interactions between Perfluoroalkyl Substances and Polyethylene
Scientists found that tiny plastic particles called microplastics can strongly attract and hold onto toxic "forever chemicals" called PFAS, which are already found in drinking water and food. This means microplastics in our environment could act like sponges that collect these harmful chemicals and potentially transport them to new places, including into our bodies. The research helps explain why these two types of pollution might work together to create bigger health risks than either one alone.
Unveiling the adsorption mechanism of perfluorooctane sulfonate onto polypropylene nanoplastics: A combined theoretical and experimental investigation
Researchers combined computer simulations with lab experiments to understand how PFOS, a widespread "forever chemical," attaches to polypropylene nanoplastic particles in water. They found that PFOS binds readily to the plastic surface, and the resulting combination moves more easily through water than the plastic particle alone, making it potentially more dangerous. Changes in water acidity (pH) can affect how much PFOS sticks to the plastic, influencing how these pollutants travel together through the environment.
Fate, distribution, and transport dynamics of Per- and Polyfluoroalkyl Substances (PFASs) in the environment
This review examines how PFAS, often called "forever chemicals," move through water, soil, plants, and air, with their ultra-strong carbon-fluorine bonds making them nearly indestructible in nature. While focused on PFAS rather than microplastics specifically, the two pollutants often co-occur and share similar concerns about persistence, bioaccumulation, and potential health effects.
Adsorption of PFAS onto secondary microplastics: A mechanistic study
Researchers studied how PFAS (toxic "forever chemicals") attach to microplastics that form when PET water bottles break down in the environment. They found that PFAS bonds to these microplastic surfaces within hours in both fresh and salt water, meaning microplastics can act as carriers for these harmful chemicals. This is concerning because people may be exposed to both microplastics and the dangerous chemicals hitchhiking on them through contaminated water.
Unraveling PFAS-Microplastic Interactions : in-Depth Insights Gained Through Laboratory Experiments and Computational Modeling Approaches
This master's thesis investigates the interactions between PFAS chemicals and microplastics using laboratory experiments and computational modelling approaches, providing in-depth insights into adsorption dynamics and the co-transport potential of these two classes of environmental contaminants.
Mechanistic Insights into PFAS Adsorption on Microplastics: Effects of Contaminant Properties and Water Chemistry
Researchers investigated how two widely detected PFAS compounds, PFOS and PFOA, adsorb onto five common types of microplastics in aquatic environments. The study found that contaminant properties and water chemistry significantly influence adsorption behavior, confirming that microplastics can serve as carriers for PFAS transport in waterways.
Adsorption behaviors of perfluorooctanoic acid on aged microplastics
Researchers studied how PFOA (a type of forever chemical) sticks to aged microplastics and found that weathering did not significantly change the adsorption behavior. The interaction was primarily driven by the water-repelling nature of both the plastics and the chemical. This matters because microplastics in the environment can transport forever chemicals through waterways and potentially into the food chain, increasing human exposure to these persistent pollutants.
Interactions between perfluorinated alkyl substances (PFAS) and microplastics (MPs): Findings from an extensive investigation
This study tested how PFAS ("forever chemicals") interact with 18 different types of microplastic and found that polyamide (nylon) plastics absorbed up to 100% of the PFAS in solution. Since both PFAS and microplastics are widespread environmental pollutants, their ability to bind together means microplastics may act as carriers that concentrate and transport these harmful chemicals into water, soil, and ultimately the human body.
Adsorption of PFAS onto secondary microplastics: A mechanistic study
Researchers investigated how PFAS (per- and polyfluoroalkyl substances) adsorb onto secondary microplastics under different water chemistry conditions. Results showed that PFAS adsorption depended on both the chemical structure of the PFAS compound and the ionic composition of the water. These findings help explain how microplastics in real-world aquatic environments can concentrate and transport PFAS, a group of persistent health-relevant pollutants.
Polypropylene nanoplastics as PFAS carriers: A computational study of the adsorption mechanism
Researchers used computational modeling to investigate how per- and polyfluoroalkyl substances (PFAS) adsorb onto polypropylene nanoplastics in aquatic environments. They found that the adsorption is primarily driven by dispersion forces between the PFAS fluorinated chains and the plastic polymer, with the nanoplastic flexing locally to maximize contact with the contaminant molecules. The study suggests that polypropylene nanoplastics can effectively carry a range of PFAS compounds, potentially increasing their bioaccumulation in organisms during co-exposure.
Poly- and Perfluoroalkyl Substances (PFAS): Do They Matter to Aquatic Ecosystems?
This review examines PFAS, the persistent 'forever chemicals' widely used in consumer products, and their growing threat to aquatic ecosystems. Evidence indicates that PFAS accumulate in aquatic organisms, disrupt hormones, and can alter how other pollutants behave in the environment. The research is relevant to microplastic concerns because PFAS are commonly found in plastic products and can leach from microplastics into water.
Interaction of microplastics with perfluoroalkyl and polyfluoroalkyl substances in water: A review of the fate, mechanisms and toxicity
This review examines how microplastics act as carriers for PFAS ("forever chemicals") in water, with the two pollutants interacting through various chemical mechanisms that affect their movement through the environment. The combined presence of microplastics and PFAS raises concerns about increased toxicity, since microplastics can transport these persistent chemicals into organisms and potentially concentrate their harmful effects.
Why Aim Toward a PFAS-free Future?
This paper is not about microplastics — it reviews the environmental persistence, toxicity, and regulatory challenges associated with per- and polyfluoroalkyl substances (PFAS), the so-called 'forever chemicals,' and argues for transitioning industry toward safer substitutes using green chemistry principles.
Environmental behavior of per- and polyfluoroalkyl substances (PFASs) and the potential role of biochar for its remediation: a review
This review summarizes how biochar, a carbon-rich material made from organic waste, can be used to clean up PFAS (per- and polyfluoroalkyl substances), the persistent "forever chemicals" found widely in the environment. Since microplastics can carry and transport PFAS through water systems, understanding how to remove PFAS is an important piece of the broader pollution picture.
Sorption of Per- and Polyfluoroalkyl Substances (PFAS) using Polyethylene (PE) microplastics as adsorbent: Grand Canonical Monte Carlo and Molecular Dynamics (GCMC-MD) studies
Researchers used Grand Canonical Monte Carlo and molecular dynamics simulations to model the sorption of seven PFAS compounds onto polyethylene microplastics, finding that longer-chain PFAS compounds exhibited stronger binding energies. The simulations revealed that hydrogen bonding and non-bond energy interactions were the primary sorption mechanisms, with PFOS showing the highest overall interaction energy.
PFAS Associated with Microplastics (MPs)
This review examined the environmental and health risks of the 'forever alliance' between PFAS and microplastics, where PFAS adsorb onto MP surfaces, increasing their environmental mobility, bioavailability, and combined toxicity. The interaction amplifies the hazards of both contaminant classes and complicates risk assessment.
An Atomic‐Level Perspective on the interactions between Organic Pollutants and PET particles: A Comprehensive Computational Investigation
Using advanced computational methods, researchers studied how organic pollutants interact with PET microplastic particles at the atomic level. The study found that pollutants bind to PET surfaces mainly through weak intermolecular forces, and that the specific chemical structure of both the pollutant and the plastic surface determines how strongly they attach.
Adsorption of perfluoroalkyl substances on microplastics under environmental conditions
Researchers examined the capacity of three types of microplastics to sorb 18 perfluoroalkyl substances from freshwater and seawater. They found that perfluorosulfonates and sulfonamides had the strongest tendency to adsorb onto microplastics, with polystyrene showing greater affinity for these chemicals than polyethylene. The study suggests that microplastics in aquatic environments can concentrate harmful PFAS compounds, potentially increasing exposure for organisms that ingest them.
Thermodynamic Properties for the Sorption of Perfluorooctanoic Acid and Perfluorooctanesulfonic Acid in Microplastics: A Molecular Simulation Study
Using molecular simulation, researchers calculated the thermodynamic parameters governing adsorption of PFAS compounds onto various microplastic types, finding that PFAS-microplastic binding is spontaneous and exothermic, confirming microplastics as efficient environmental vectors for PFAS transport.
Microplastics as carriers of per- and polyfluoroalkyl substances (PFAS) in aquatic environment: interactions and ecotoxicological effects
Researchers reviewed how microplastics serve as carriers for per- and polyfluoroalkyl substances (PFAS), sometimes called forever chemicals, in aquatic environments. The study found that PFAS can attach to microplastic surfaces and accumulate in organisms through the food chain, potentially amplifying the toxic effects of both pollutants. The findings suggest that the combined presence of microplastics and PFAS poses a greater environmental and health risk than either pollutant alone.